3-[(5-ethyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid

Systemtic Name: 3-[(5-ethyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-[(5-ethyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-[(5-ethyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-[(5-ethyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyridine-4-carboxylic acid Traditional Name: 3-[(2-amyl-5-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-isonicotinic acid Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)CC)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCN1C(=NC(=N1)CC)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H26N4O2/c1-3-5-9-14-26-20(24-19(4-2)25-26)15-18-17(22(27)28)12-13-23-21(18)16-10-7-6-8-11-16/h6-8,10-13H,3-5,9,14-15H2,1-2H3,(H,27,28)